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THE FORMABILITY OF COMPLEX FLOURIDE COMPOUNDS

LI Zheng , LIU Honglin , CHENG Zhaonian , CHEN Nianyi , Shanghai Institute of Metallurgy , Academia Sinica , Shanghai , ChinaZHOU Jiaju , Institute of Chemical Metallurgy , Academia Sinica , Beijing , China CHEN Nianyi , Professor , Shanghai Institute of Metallurgy , Academia Sinica , Shanghai 200050 , China

金属学报(英文版)

The formability of complex flourides has been studied by chemical bond parameter-pattern recognition method. In a multi-dimensional space spanned by ionic radius, ionic polarizability, electronegativity and ionic charge of the metal elements, the binary complex flouride-forming systems and binary flouride systems without complex flouride formation distribute in different regions with a clear-cut boundary. The mathematical models obtained are useful for new complex flouride predicton.

关键词: complex flouride , null , null

MOLECULAR DYNAMIC SIMULATIONS OF MOLTEN NaF

ZHANG Jing , CHENG Zhaonian , CHEN Nianyi , Shanghai Institute of Metallurgy , Academia Sinica , China CHENG Zhaonian , Associate Professor , Shanghai Institute of Metallurgy , Academia Sinica , Shanghai 200050 , China

金属学报(英文版)

The structure and transport properties in molten NaF have been studied using the method of molecular dynamics simulation. The calculations are based on two models of interionic potentials, which are Fumi-Tosi potential (FT) and the Fumi-Tosi potential without Van der Waals attractive item (FT). The radial distribution function (RDF) and the Na~+ and F~- self-diffusion coefficients have been calculated. The calculated results are in good agreement with the experimental ones. The calculation shows that the two models give nearly identical radial distribution function and self-diffusion coefficient, but the results of FTpotential are a little better than those of FT potential.

关键词: molten NaF , null , null

Chen系统的状态变量周期性反馈控制

李开明 , 李亚洲 , 冯维贵 , 林长

量子电子学报 doi:10.3969/j.issn.1007-5461.2007.05.014

采用非线性反馈控制,用附加了带参数的正弦项对Chen系统进行了有效的控制.随着参数k的逐渐增大,系统的动力学行为呈现出一系列的变化.数值研究结果表明:随控制参数的增大,驱动信号的强度渐大,混沌系统由混沌运动到周期轨道,最终到一相点.

关键词: 混沌 , Chen系统 , 不动点 , Lyapunov指数 , 反馈控制

Ion sputter erosion in metallic glass-A response to "Comment on: Homogeneity of Zr(64.13)Cu(15.75)Ni(10.12)Al(10) bulk metallic glass" by L-Y. Chen, Y-W. Zeng, Q-P. Cao, B-J. Park, Y-M. Chen, K. Hono, U. Vainio, Z-L. Zhang, U. Kaiser, X-D. Wang, and J-Z Jiang J. Mater. Res. 24, 3116 (2009)

Journal of Materials Research

The morphology of the dark and bright regions observed by transmission electron microscopy for the Zr(64.13)Cu(15.75)Ni(10.12)Al(10) bulk metallic glass strongly depends on the ion beam parameters used for ion milling. This indicates that the ion beam could introduce surface fluctuation to metallic glasses during ion milling.

关键词: room-temperature

第27卷B辑作者索引

金属学报

Volu扣ne 27SeriesB1991AUTHOR INDEX CCAO Guanghan(曹光旱)············……6一B科6CAo weijie(曹卫恋)..················……5一B32oCAO Yilin(曹益林)··················……6一B443CHANG Xin(常听)···············……1一B48CHE Guang邻n(车广灿)·············一6一B科0CHEN Erbao(陈二保)···············……6一B410CHEN Jia....

关键词:

基于二氧化碳封存的超临界两相流动的数值研究

高诚 , 胥蕊娜 , 陈黎 , 姜培学

工程热物理学报

格子Boltzmann方法(LBM)在计算复杂结构物理模型时具有独特优势并在模拟两相流动过程中能够高效清晰捕捉相界面.本文介绍了基于Shan-Chen多相模型的格子Boltzmann方法的理论成果以及基于二氧化碳封存的超临界两相流的模拟研究.结果表明,Shan-Chen模型在模拟两相流时符合Laplace定律,且两相层流时的速度分布和相渗曲线均与理论值吻合.二氧化碳封存过程中,较大的注入速率在提高二氧化碳残余俘获量的同时会降低其化学俘获量.

关键词: 二氧化碳封存 , 超临界两相流 , Shan-Chen模型

A molecular dynamics study of the structural change differences between Au-225 and Au-369 clusters on MgO surfaces at low temperature

Chinese Physics B

The differences in structural change between Au-225 and Au-369 clusters with their (111) facets supported on MgO(100) surfaces at 5 K are studied by using molecular-dynamics simulations with the atomic interchange potentials of the Au/MgO interface. The parameters are obtained from the ab initio energies using the Chen-Mobius inversion method. Analyses of the pair distribution functions show that the two Au clusters use different deformation processes to adjust the distances between the interface atoms, owing to the misfit between the atom distances among the clusters and the substrates. The local structural changes are identified by atomic density profiles.

关键词: interfaces;nanostructures;computer modelling and simulation;molecular;dynamics;local-structure changes;mgo(001) surface;au;adsorption;cu;nanoclusters;dimers;models;ag

1998 COMPREHENSIVE TABLE OF CONTENTS

中国腐蚀与防护学报

N。1Atmospheric Corrosivlty for Steels………………………………………………… .LIANG Caideng HO[I i。-tat(6)Caustic Stress Corrosion Cr。king of Alloy 800 Part 2.The Effect of Thiosul执e……………………………………… KONG De-sheng YANG Wu ZHAO Guo-zheng HUANG De.ltL。ZHANG Yu。。he CHEN She。g-bac(13)SERS slid E16CttOCh6iniC81 Stlldy Of Illhibit1Oli M6ch&tllsth Of ThlollY68 Oil ITOll ID H....

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